SCHEMBL10179922

SCHEMBL10179922

CCC(C)(C)c1ccc(OS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
HTT P42858 1/20 0.55
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CASP1 P29466 1/20 0.40
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10179893 0.85 KMT2A (0.58) KMT2AHTTNPC1RAB9APOLB
SCHEMBL10180412 0.82 NPC1 (0.51) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL10180331 0.79 TDP1 (0.54) KMT2AHTTNPC1RAB9APOLB
Phenyl Phenylmethanesulfonate SCHEMBL6912876 0.79 KMT2A (1.00) KMT2AHTTLMNAMMP1MMP13
SCHEMBL10180126 0.78 NPC1 (0.51) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL5269493 0.77 NPC1 (0.53) NPC1RAB9APOLBCYP2C9MAPT
Phenyl Phenylmethanesulfonate SCHEMBL27917341 0.77 KMT2A (0.96) KMT2AHTTLMNAMMP1MMP13
SCHEMBL10180018 0.77 TSHR (0.53) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL16394646 0.77 MITF (0.39) KMT2ANPC1RAB9APOLBLMNA
SCHEMBL10180575 0.77 KMT2A (0.50) KMT2AHTTCASP1MMP1MMP13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed